6228-1100 Screening compound: 1-{5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl}-4-methylpiperazine

6228-1100 Screening compound: 1-{5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl}-4-methylpiperazine
6228-1100 Screening compound: 1-{5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl}-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1100
1-{5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl}-4-methylpiperazine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6228-1100

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

1-{5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl}-4-methylpiperazine

IUPAC name

1-{5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl}-4-methylpiperazine

SMILES

CC(C)(C)c(cc1)ccc1OCc1ccc(C(N2CCN(C)CC2)=O)o1

InChI

InChI=1S/C21H28N2O3/c1-21(2,3)16-5-7-17(8-6-16)25-15-18-9-10-19(26-18)20(24)23-13-11-22(4)12-14-23/h5-10H,11-15H2,1-4H3

InChI Key

URYQGEHNTLJGCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-3.97

Polar Surface Area

35.432

Acid Dissociation Constant (pKa)

29.37

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

6228-1100 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6228-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1100?
Check Price and Availability of 6228-1100, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6228-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1100
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6228-1100 available by request